A master's thesis combines modern computer techniques and chemical synthesis to combat resistant lung cancer.

Under the chairmanship of the Dean of the College of Pharmacy, Prof. Dr. Noor Hatif Al-Dabbagh, a Master’s thesis defense was held at Al-Mustansiriya University by the student Ali Hussein Sabr, entitled: *“Design, Computational Molecular Docking, Molecular Dynamics Simulation, and Synthesis of New [N-(2-(4-oxo-2-phenylquinazolin-3(4H)-yl] Derivatives with Enhanced Antiproliferative Activity.”* The study aimed to develop a new generation of EGFR enzyme inhibitors to address therapeutic challenges in resistant non-small cell lung cancer (NSCLC) by employing drug design and molecular structure-based methodologies. The research involved designing six new hybrid derivatives, which were theoretically studied using molecular docking and molecular dynamics simulation techniques to evaluate their binding affinity to the enzyme. Additionally, their pharmacokinetic properties were assessed using the QikProp program. The results demonstrated that these derivatives outperformed Erlotinib in terms of binding affinity and structural stability, and they exhibited high efficacy against A549 lung cancer cells in laboratory tests, along with promising pharmacological properties and high safety according to Lipinski’s rule. In concluding the defense, Prof. Dr. Al-Dabbagh emphasized the importance of adopting such advanced research that integrates modern computational techniques with chemical synthesis, to achieve a qualitative leap in the field of targeted anticancer drug discovery and to attain more effective outcomes for patient treatment.